Investigation of the Spin-Hamiltonian Parameters and the Local Structure of Ni²⁺ Ions in CsMgX₃ (X = Cl, Br, I) Crystals

Abstract

Taking into account spin-spin (SS), spin-other-orbit (SOO), and orbit-orbit (OO) interactions in addition to general spin-orbit (SO) interactions, the local structures of Ni 2+ in CsMgX 3 (X = Cl, Br, I) are theoretically investigated by using the complete diagonalization method (CDM). On this basis, it is found that the local angles, at the Ni 2+ centres are larger than those, at the hosts. The contributions to the spin-Hamiltonian parameters from spin triplets and slight magnetic interactions are discussed.